(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide

C20H23N3O3 — CID 32578740

IUPAC(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
SMILESO=C(NOCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H23N3O3/c24-19(22-26-15-16-8-3-1-4-9-16)17-10-7-13-23(14-17)20(25)21-18-11-5-2-6-12-18/h1-6,8-9,11-12,17H,7,10,13-15H2,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyPQBNYHXIFNSINH-KRWDZBQOSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds5

About (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide

(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide (PubChem CID 32578740) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
PubChem CID32578740
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
SMILESO=C(NOCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H23N3O3/c24-19(22-26-15-16-8-3-1-4-9-16)17-10-7-13-23(14-17)20(25)21-18-11-5-2-6-12-18/h1-6,8-9,11-12,17H,7,10,13-15H2,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyPQBNYHXIFNSINH-KRWDZBQOSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
methyl (2S)-3-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 38031986
methyl (2R)-3-phenyl-2-[[(3R)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 39995976
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide (CID 32578740) is (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide is O=C(NOCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide?
The InChIKey is PQBNYHXIFNSINH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(22-26-15-16-8-3-1-4-9-16)17-10-7-13-23(14-17)20(25)21-18-11-5-2-6-12-18/h1-6,8-9,11-12,17H,7,10,13-15H2,(H,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide?
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide is sourced from PubChem (CID 32578740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).